General Information of the Compound
| Compound ID |
CP0406816
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| Compound Name |
US9206164, 106
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| Structure |
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| Formula |
C24H24ClFN4O2
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| Molecular Weight |
454.933
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| Canonical SMILES |
CCc1nn(Cc2ccc(cc2F)-c2nc3cc(C)c(Cl)cc3[nH]2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C24H24ClFN4O2/c1-4-19-16(10-23(31)32)22(5-2)30(29-19)12-15-7-6-14(9-18(15)26)24-27-20-8-13(3)17(25)11-21(20)28-24/h6-9,11H,4-5,10,12H2,1-3H3,(H,27,28)(H,31,32)
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| InChIKey |
NJPQGSDHSPCUEN-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound